google-code-export / nmrrestrntsgrid

Automatically exported from code.google.com/p/nmrrestrntsgrid
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Xeasy peak list parser needed in setup. #264

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1. For entry 2ksu, the only restraint data is an Xeasy peak list. They can -in 
the future- be processed but not without the coordinates. This is similar to 
the Amber entries we have been processing together with the original ordered 
coordinate list.

I suggest we start collecting the original CYANA ordered coordinate files like 
the Amber ones and parallel park them for future usage. This might be fast as 
I'm working on integrating with NRG-CING.

Original issue reported on code.google.com by jurge...@gmail.com on 23 Sep 2010 at 2:15

GoogleCodeExporter commented 9 years ago
Great idea. I have your suggested template in the author request templates. 
Should we make another folder in pdb_external, or is there a better place to 
park the ordered coordinate?

Original comment by schulte....@gmail.com on 23 Sep 2010 at 4:54

GoogleCodeExporter commented 9 years ago
Chris, you're archiving these now right. Let's not forget to request the 
authors but take it off this list here please.

Original comment by jurge...@gmail.com on 24 Feb 2011 at 2:42

GoogleCodeExporter commented 9 years ago
Part of the pipeline now

Original comment by schulte....@gmail.com on 24 Feb 2011 at 2:57